Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1c1ncc(-c2ccc(Cl)cc2C#N)[nH]1- InChIKey
IRBAUGRHBANFLB-UHFFFAOYSA-N- Molecular formula
- C19H21ClN4O2
- Average molar mass
- 372.8 g/mol
Names & identifiers
- Preferred name
- 2-[5-(4-Chloro-2-cyano-phenyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[5-(4-chloro-2-cyanophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL204359IRBAUGRHBANFLB-UHFFFAOYSA-N2-[5-(4-Chloro-2-cyano-phenyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66620587
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 570
Related reactions
6 records
Compound notes
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